SCHEMBL2246323

SCHEMBL2246323

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(Cl)cc3)c(F)c2)ccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.77
BRAF P15056 11/20 0.76
MAPK14 Q16539 9/20 0.76
RIPK1 Q13546 2/20 0.76
RAF1 P04049 2/20 0.76
RET P07949 2/20 0.76
KIT P10721 2/20 0.76
BCR P11274 2/20 0.76
FGFR1 P11362 2/20 0.76
PDGFRA P16234 2/20 0.76
FLT1 P17948 2/20 0.76
EPHA1 P21709 2/20 0.76
TTK P33981 2/20 0.76
FLT4 P35916 2/20 0.76
KDR P35968 2/20 0.76
FLT3 P36888 2/20 0.76
MAPKAPK2 P49137 2/20 0.76
CLK1 P49759 2/20 0.76
LIMK1 P53667 2/20 0.76
CDK17 Q00537 2/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2241987 0.94 ABL1 (0.78) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2239184 0.94 BRAF (0.68) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2241121 0.94 BRAF (0.79) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2242769 0.94 ABL1 (0.79) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2243266 0.93 BRAF (0.80) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2243259 0.93 ABL1 (0.78) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2242960 0.92 BRAF (0.77) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2240625 0.92 MAPK14 (0.70) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL2242285 0.92 ABL1 (0.79) ABL1BRAFMAPK14RIPK1RAF1
SCHEMBL31265677 0.92 ABL1 (0.79) ABL1BRAFMAPK14RIPK1RAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US claimed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 EP claimed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 EP disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 ABL1 3359/4885BRAF 338/4885MAPK14 3645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.